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Density Functional Theory method was used to optimize the geometries of 209 PCDE molecules, 209 PBDE molecules and 75 PCDD molecules at the B3LYP/6-31G* level. Using computed structural parameters as theoretical descriptors, the forward stepwise multiple regression technique was adopted to obtain QSPR models of environmental partition properties for these POPs by using GQSARF 2.0 and SPSS12.0 for windows programs. The obtained QSPR models are as follows:(1) QSPR models for predicting subcooled liquid vapor pressure, n-octanol/water partition coefficients lgK_(ow and subcooled liquid water solubilities -lgS_(w,l of PCDEs, of which correlative coefficients (R~2) are 0.988, 0.958 and 0.959 and the root-mean-square-error of estimation are 0.134, 0.116 and 0.327 respectively.(2) QSPR models of lgPL and n-octanol/air partition coefficients lgK_(oa for PBDEs, which both contain three structural parameters. The values of R2 for the two models are both 0.997 while the values of RMSEE are 0.073 and 0.062 respectively.(3) QSPR models of lgKow and–lgS_ for PCDEs, which both have one variable (mean molecular polarizability,α). The values of R~2 for the two models are 0.978 and 0.866 and the values of RMSEE are 0.300 and 0.270 respectively.(4) The molecular structures of 24 substituted naphthaline compounds were optimized using Hartree-Fock and DFT methods at four different levels and the same means was used to obtain four three-parameter (EHOMO, q~+ andα) QSPR models of lgK_. The model at the HF/6-311G** level is the best one of which R2 is 0.9662 and RMSEE is 0.380.(5) QSPR study for environmental partition properties of PCDEs was also performed using position of Cl substitution method in which simple parameters of substitution position were taken as descriptors. The multiple linear regression was performed with GQSARF 2.0 and SSPS 12.0 for windows programs to obtain QSPR models of lgP_L, lgK_ and–lgS_ for PCDEs of which R~2 are 0.991, 0.983 and 0.965 and RMSEE are 0.311, 0.100 and 0.300 respectively.

采用密度泛函理论方法在B3LYP/6-31G*水平上对PCDEs、PBDEs和PCDDs的分子结构进行了全优化计算，以计算得到的量子化学参数作为理论描述符，采用GQSARF 2.0和SPSS 12.0 for windows统计程序进行正向逐步回归分析，建立了这些POPs的环境分配性质的QSPR模型：(1) PCDEs的过冷液体蒸汽压、正辛醇/水分配系数lgK_(ow和水溶解度-lgS_(w，l的QSPR模型，这3个QSPR模型的相关系数(R2)分别为0.988、0.958和0.959，估计的均方根误差分别为0.134、0.116和0.327；(2) PBDEs的lgPL和正辛醇/空气分配系数lgK_(oa的QSPR模型，这两个模型都包含三个分子结构参数，其R~2都为0.997，RSMEE分别为0.073和0.062；(3) PCDDs类化合物的lgK_和-lgS_w的QSPR模型，两个模型都只含一个变量，其R~2分别为0.978和0.866，RSMEE分别为0.300和0.270；(4)采用Hartree-Fock和DFT方法，在4种不同水平上优化计算了24个取代萘系列化合物的分子结构，采用上述同样的方法分别建立了四种水平上的三变量lgK_模型，通过比较得到，在HF/6-311G**水平计算得到的模型最好，R为0.966，RSMEE为0.380；(5)同时，采用氯原子取代位置方法对PCDEs的环境分配性质进行QSPR研究，建立了PCDEs的lgPL、lgK_和-lgS_的QSPR模型，其R~2分别为0.991、0.983和0.965，RSMEE分别为0.110、0.100和0.300。

In order to study the effects of phases of HMX on the nitramine propellants, the combustion performance and mechanical properties of nitramine propellants containing α-HMX and β-HMX were tested by closed combustion bomb and mechanical properties tester.

为了研究奥克托今的晶型对硝胺发射药性能的影响，采用密闭爆发器以及力学性能测试仪，对含α-HMX和β-HMX两种不同晶型硝胺发射药的燃烧性能和力学性能进行测试。

But, the characteristics of its adhered-elastic fracture in high temperature and brittle fracture in low temperature were discovered during impact load test The impact fracture mechanism of the high-energy nitroamine propellant had been put forward by studying the fracture appearances of impact fracture surface, the expansion of secondary crack and the weakness or failing of mechanical structure combined with the analysis of impact fracture properties and dynamic adhered-elastic properties and structures.

通过研究冲击断裂表界面的断口形貌、二次裂纹的发展、材料的力学结构缺陷或弱点，并结合冲击断裂性能、动态粘弹性能及结构分析，提出了硝胺发射药的冲击断裂破坏机理。

In this thesis, we intended to eliminate the a -Fe phase by adjusting the composition and the cooling velocity. The effects of Sm content, cooling velocity and the additions of Nb and Zr on the microstructures of Sm-Fe alloys and magnetic properties of Sm2Fe17Nx were studied. Effects of nitrogenation techniques on magnetic properties were also studied.

本文力图通过控制合金成分及冷却速度的方法来消除Sm-Fe合金中初生的α-Fe相，系统地研究了Sm含量，凝固速度及Nb和Zr的添加对Sm-Fe合金微观组织的影响，及合金成分和氮化工艺对Sm_2Fe_(17)N_x磁性能的影响。

Concrete, as a kind of multi-phase, multi-level, and inhomogeneous composite, has the properties of nonlinear and nonisotropic. The macroscopical theories which are used frequently cant reflect these properties easily.

混凝土作为一种多组分、多层次、不均质复合材料，具有非线性和各向异性的性质，一直沿用的宏观理论很难反映混凝土的这些材料特性。

Organophilic montmorillonite/SBS modified bitumen composites were prepared by melt intercalation and their microstructures were charactenzed by XRD and fluorescence microscopy. The physical properties and ageing properties of OMMT/SBS modified bitumen were investigated.

采用熔融插层法制备了有机蒙脱土/SBS改性沥青，利用SRD和荧光显微镜表征了OMMT/SBS改性沥青的微观结构，研究了OMMT对SBS改性沥青物理性能和老化性能的影响。

Discusses and analyzes in detail the sieving result of outspent asphalt mixture, properties of aggregate and especially the properties of the asphalt mixture in which the reclaiming agent has been added in the outspent one.

对原路面沥青混合料的筛分结果、骨料的性质以及原沥青与加入再生剂后沥青材料的性质进行了较为详细的研究与分析。

The UV absorption and photoluminescence properties of phenanthroline derivatives with triphenylamine and oxadiazole groups and their europium complexes were investigated. These europium complexes display intense UV absorption and photoluminescence properties. The PL results from emission of Eu3+ ion in their pure thin films. A maximum PL wavelength is 612 nm and a full width at half maximum is from 9 nm to 15 nm for the PL of these europium complexes, respectively.

2研究了三芳胺和噁二唑功能化的邻菲罗啉中性配体及其铕配合物的紫外吸收和光致发光性能，研究结果表明，这类新型的铕配合物具有强烈的紫外吸收和光致发光性能，铕配合物在固体薄膜状态下都能发射出强烈的铕离子特征峰，其最大发射波长为612 nm，半峰宽为9～15 nm。

The mechanical properties of coal filled polymer composites The mechanical properties of coal/PP composites were investigated, and the effects of coal rank, particle size, surface modification of coupling and alkylation were discussed. The results show that the anthracite and bituminous coal all can be used as filler of plastic after pretreatment of part devolatilization and surface modification; The modulus of composites increase with the content of coal filler; The coupling agent is of no effect for reinforcing the coal/PP composites, except that there are new oxygenous function group forming on the surface in the process of pulverizing; The F-C alkylation reinforce coal (under 10μm)/PP composites obviously.

4煤填充高分子复合材料力学性能超细煤粉填充聚丙烯复合材料力学性能的研究结果表明，烟煤和无烟煤经过脱除部分挥发分的预处理后，都可用于与塑料共混制备复合材料；偶联剂改性对低变质程度烟煤/聚丙烯复合材料的力学性能基本不起改善作用，而对于经气流超细粉碎后的小粒径高变质程度烟煤及无烟煤则有一定的增强作用；烷基化改性在煤表面接枝了烷基，使平均粒径小于10μm的煤/聚丙烯复合材料拉伸屈服强度普遍提高，煤填充高分子复合材料可在较高含煤量情况下维持良好的力学性能。

The properties of the composite particled were characterized by TEM and FTIR.In addition,the thermal properties of the composite material were investigated by thermogravimetric analysis.

采用透射电子显微镜和红外光谱仪对复合粒子的性质进行了表征，利用热重分析仪器对复合粒子的耐热性能进行了研究。

This one mode pays close attention to network credence foundation of the businessman very much.

这一模式非常关注商人的网络信用基础。

Cell morphology of bacterial ghost of Pasteurella multocida was observed by scanning electron microscopy and inactivation ratio was estimated by CFU analysi.

扫描电镜观察多杀性巴氏杆菌细菌幽灵和菌落形成单位评价遗传灭活率。